#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmm s SER 2 N 0.00 4.03 -0.18 1.61 1.04 -1.26 -5.12 113.70 113.82 2dmm s SER 2 Ca 0.00 -0.44 -0.01 0.00 0.48 0.00 0.00 55.95 55.98 2dmm s SER 2 Cb 0.00 -0.68 0.00 0.00 0.10 0.00 0.00 66.02 65.45 2dmm s SER 2 CO 0.00 0.21 -0.14 -0.55 0.98 0.00 0.00 173.24 173.75 2dmm s SER 3 N -1.85 3.65 0.00 7.02 0.15 -1.26 -5.08 113.70 116.33 2dmm s SER 3 Ca 0.17 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.32 2dmm s SER 3 Cb -0.11 -1.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.62 2dmm s SER 3 CO 0.09 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.17 2dmm n GLY 4 N 4.45 -1.96 3.70 9.45 0.00 -1.26 -4.76 105.19 114.82 2dmm n GLY 4 Ca -0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 2dmm n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dmm n SER 5 N 0.00 1.89 -0.11 1.61 3.41 -1.26 -4.98 113.62 114.19 2dmm n SER 5 Ca 0.00 0.86 -0.17 0.00 -0.26 0.00 0.00 58.87 59.30 2dmm n SER 5 Cb 0.00 -1.52 -0.06 0.00 -0.26 0.00 0.00 64.21 62.37 2dmm n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dmm n SER 6 N -1.41 1.91 0.00 4.04 7.64 -1.26 -5.05 113.62 119.49 2dmm n SER 6 Ca 0.14 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.35 2dmm n SER 6 Cb 0.47 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 2dmm n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmm n GLY 7 N 1.43 1.34 4.06 0.23 0.00 -1.26 -4.88 105.19 106.11 2dmm n GLY 7 Ca -0.30 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 2dmm n GLY 7 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2dmm n PHE 8 N 0.00 -1.66 -4.43 1.61 3.72 -1.26 -4.95 117.46 110.49 2dmm n PHE 8 Ca 0.00 0.76 -0.31 0.00 -0.05 0.00 0.00 57.45 57.85 2dmm n PHE 8 Cb 0.00 -3.45 -0.11 0.00 -0.94 0.00 0.00 39.48 34.98 2dmm n PHE 8 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2dmm s ASP 9 N -4.04 4.33 -0.90 4.37 2.15 -1.26 -5.08 116.67 116.23 2dmm s ASP 9 Ca 0.23 -0.30 -0.06 0.00 0.43 0.00 0.00 52.55 52.84 2dmm s ASP 9 Cb -0.12 -0.87 0.23 0.00 -0.30 0.00 0.00 42.92 41.85 2dmm s ASP 9 CO 0.91 0.24 0.82 -0.83 -0.17 0.00 0.00 175.17 176.14 2dmm s GLY 10 N -1.70 2.96 -0.00 2.66 0.00 -1.26 -4.71 107.32 105.28 2dmm s GLY 10 Ca 0.18 -3.67 0.02 0.00 0.00 0.00 0.00 44.72 41.26 2dmm s GLY 10 CO 0.09 1.23 0.08 -2.01 0.00 0.00 0.00 173.10 172.49 2dmm n ASN 11 N 2.90 1.57 -2.06 1.64 2.85 -1.26 -4.66 115.26 116.23 2dmm n ASN 11 Ca 0.19 -0.37 -0.23 0.00 -0.11 0.00 0.00 54.58 54.05 2dmm n ASN 11 Cb 0.39 1.04 0.05 0.00 1.24 0.00 0.00 39.78 42.50 2dmm n ASN 11 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2dmm n LEU 12 N -1.23 6.93 -3.57 1.20 7.99 -1.26 -4.86 117.00 122.20 2dmm n LEU 12 Ca 0.00 -3.67 -0.14 0.00 -0.01 0.00 0.00 56.01 52.19 2dmm n LEU 12 Cb 0.04 -1.03 -0.06 0.00 -0.11 0.00 0.00 43.42 42.26 2dmm n LEU 12 CO 0.05 1.32 0.55 -1.59 -1.51 0.00 0.00 177.39 176.21 2dmm s LYS 13 N -2.55 0.84 -0.30 3.23 0.00 -1.26 -4.79 119.74 114.90 2dmm s LYS 13 Ca 0.44 0.43 -0.16 0.00 0.00 0.00 0.00 55.97 56.67 2dmm s LYS 13 Cb 0.34 0.40 0.18 0.00 0.00 0.00 0.00 37.83 38.75 2dmm s LYS 13 CO -0.01 -0.22 1.10 0.50 0.00 0.00 0.00 175.35 176.73 2dmm s ARG 14 N -0.68 0.19 0.05 1.78 3.00 -1.26 -4.94 118.95 117.09 2dmm s ARG 14 Ca -0.05 0.45 -0.04 0.00 -1.00 0.00 0.00 55.73 55.10 2dmm s ARG 14 Cb -0.02 0.27 -0.02 0.00 0.00 0.00 0.00 34.95 35.18 2dmm s ARG 14 CO 0.04 -0.08 0.06 1.52 0.00 0.00 0.00 175.30 176.84 2dmm s TYR 15 N 2.36 0.31 -0.20 5.12 1.13 -1.26 -4.13 117.35 120.67 2dmm s TYR 15 Ca -0.01 -0.72 0.03 0.00 -1.41 0.00 0.00 57.07 54.96 2dmm s TYR 15 Cb -0.05 -0.22 -0.14 0.00 -1.10 0.00 0.00 41.96 40.45 2dmm s TYR 15 CO -0.16 -0.39 -0.16 1.47 -2.51 0.00 0.00 175.55 173.80 2dmm n LEU 16 N 0.45 2.65 -4.71 -3.49 -0.00 -1.26 -5.02 117.00 105.62 2dmm n LEU 16 Ca -0.17 -0.10 -0.23 0.00 -0.00 0.00 0.00 56.01 55.51 2dmm n LEU 16 Cb 0.60 -0.61 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 2dmm n LEU 16 CO 0.24 0.80 -0.23 -0.75 -0.00 0.00 0.00 177.39 177.46 2dmm s LYS 17 N -2.42 2.37 -0.02 1.47 2.20 -1.26 -5.00 119.74 117.07 2dmm s LYS 17 Ca -0.26 -1.51 -0.29 0.00 -0.36 0.00 0.00 55.97 53.56 2dmm s LYS 17 Cb 0.07 -2.18 0.10 0.00 -1.51 0.00 0.00 37.83 34.31 2dmm s LYS 17 CO 0.50 0.18 0.86 -1.54 -0.36 0.00 0.00 175.35 174.99 2dmm s SER 18 N -3.80 -0.42 0.27 1.43 1.04 -1.26 -3.13 113.70 107.84 2dmm s SER 18 Ca 0.36 0.15 0.07 0.00 0.48 0.00 0.00 55.95 57.01 2dmm s SER 18 Cb -0.03 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 2dmm s SER 18 CO 0.22 -0.60 0.28 -1.61 0.98 0.00 0.00 173.24 172.51 2dmm s GLU 19 N -2.59 3.04 0.41 4.02 0.41 -1.26 -4.90 118.70 117.83 2dmm s GLU 19 Ca 0.02 -1.02 -0.25 0.00 -0.41 0.00 0.00 54.97 53.31 2dmm s GLU 19 Cb -0.01 -2.65 -0.08 0.00 -1.78 0.00 0.00 34.13 29.61 2dmm s GLU 19 CO -0.05 0.32 1.19 -1.25 -0.49 0.00 0.00 175.26 174.98 2dmm s PRO 20 N -3.93 4.00 0.07 0.39 0.04 -1.26 -4.33 135.00 129.98 2dmm s PRO 20 Ca 0.36 1.88 -0.30 0.00 0.04 0.00 0.00 61.00 62.97 2dmm s PRO 20 Cb -0.08 -2.65 -0.06 0.00 0.04 0.00 0.00 34.50 31.75 2dmm s PRO 20 CO 0.27 -0.37 1.16 0.42 0.04 0.00 0.00 177.00 178.52 2dmm s ILE 21 N -1.41 4.08 0.72 0.56 -1.09 -1.26 -4.99 121.20 117.82 2dmm s ILE 21 Ca 0.58 1.54 -0.12 0.00 -2.23 0.00 0.00 60.65 60.41 2dmm s ILE 21 Cb -0.31 -3.99 0.03 0.00 -1.58 0.00 0.00 42.46 36.61 2dmm s ILE 21 CO 0.40 0.14 1.10 -2.16 -1.23 0.00 0.00 174.94 173.19 2dmm s PRO 22 N 0.82 2.49 0.04 2.79 0.04 -1.26 -4.98 135.00 134.93 2dmm s PRO 22 Ca 0.57 1.27 -0.20 0.00 0.04 0.00 0.00 61.00 62.67 2dmm s PRO 22 Cb -0.29 -1.92 -0.15 0.00 0.04 0.00 0.00 34.50 32.18 2dmm s PRO 22 CO 0.30 -1.48 1.31 1.05 0.04 0.00 0.00 177.00 178.22 2dmm h GLU 23 N -0.63 0.38 -4.16 4.56 4.11 -2.03 -3.45 114.58 113.37 2dmm h GLU 23 Ca -0.45 -0.23 -0.35 0.00 0.07 0.00 0.00 59.36 58.40 2dmm h GLU 23 Cb 1.24 0.02 -0.31 0.00 0.50 0.00 0.00 28.75 30.20 2dmm h GLU 23 CO 0.52 0.81 -0.76 -1.12 0.07 0.00 0.00 179.01 178.53 2dmm s SER 24 N -6.23 0.69 -0.13 3.06 0.01 -1.26 -5.03 113.70 104.80 2dmm s SER 24 Ca -0.14 -0.10 0.17 0.00 1.31 0.00 0.00 55.95 57.19 2dmm s SER 24 Cb 0.05 -0.20 0.43 0.00 0.21 0.00 0.00 66.02 66.51 2dmm s SER 24 CO 0.77 0.01 1.20 0.59 0.41 0.00 0.00 173.24 176.21 2dmm n ASN 25 N 3.42 1.51 -2.05 2.44 4.13 -1.26 -4.88 115.26 118.57 2dmm n ASN 25 Ca -0.19 -3.12 -0.14 0.00 1.68 0.00 0.00 54.58 52.81 2dmm n ASN 25 Cb 0.55 -0.43 -0.11 0.00 -1.54 0.00 0.00 39.78 38.24 2dmm n ASN 25 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2dmm n ASP 26 N -0.46 5.61 -0.59 6.41 8.00 -1.26 -4.68 116.55 129.58 2dmm n ASP 26 Ca 0.14 -2.68 0.00 0.00 0.71 0.00 0.00 54.79 52.97 2dmm n ASP 26 Cb 0.88 -1.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 2dmm n ASP 26 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dmm n GLY 27 N 1.88 4.46 0.25 0.44 0.00 -1.26 -5.04 105.19 105.92 2dmm n GLY 27 Ca 0.39 -2.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.20 2dmm n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmm h PRO 28 N 0.00 0.89 -5.05 1.61 0.13 -1.90 -3.43 132.00 124.25 2dmm h PRO 28 Ca 0.00 -0.47 -0.67 0.00 -0.87 0.00 0.00 66.00 63.99 2dmm h PRO 28 Cb 0.00 0.02 -0.35 0.00 0.13 0.00 0.00 31.00 30.80 2dmm h PRO 28 CO 0.00 1.11 -0.86 0.08 -0.23 0.00 0.00 178.00 178.11 2dmm s VAL 29 N -4.39 2.06 -0.21 1.56 1.01 -1.26 -3.25 120.40 115.91 2dmm s VAL 29 Ca -0.11 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 60.62 2dmm s VAL 29 Cb 0.11 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 2dmm s VAL 29 CO 0.87 0.52 1.79 -0.54 0.00 0.00 0.00 175.10 177.74 2dmm s LYS 30 N 1.28 3.64 -0.44 2.72 -0.14 0.72 -4.65 119.74 122.88 2dmm s LYS 30 Ca 0.05 1.78 -0.28 0.00 -1.36 0.00 0.00 55.97 56.16 2dmm s LYS 30 Cb -0.13 -4.13 0.00 0.00 -1.68 0.00 0.00 37.83 31.88 2dmm s LYS 30 CO -0.13 -1.49 1.55 0.08 -0.76 0.00 0.00 175.35 174.60 2dmm s VAL 31 N 5.93 3.73 -0.18 3.17 1.01 -1.26 0.18 120.40 132.97 2dmm s VAL 31 Ca 0.80 0.70 -0.06 0.00 0.00 0.00 0.00 61.98 63.42 2dmm s VAL 31 Cb -0.28 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 2dmm s VAL 31 CO 0.32 -0.76 0.02 -0.69 0.00 0.00 0.00 175.10 173.99 2dmm s VAL 32 N 6.22 4.26 0.10 2.92 1.01 0.17 -4.88 120.40 130.21 2dmm s VAL 32 Ca 0.65 -0.22 0.09 0.00 0.00 0.00 0.00 61.98 62.51 2dmm s VAL 32 Cb -0.15 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 2dmm s VAL 32 CO 0.31 0.45 -0.24 0.68 0.00 0.00 0.00 175.10 176.30 2dmm s VAL 33 N 0.60 2.00 0.25 2.92 -7.23 -1.26 -3.88 120.40 113.79 2dmm s VAL 33 Ca 0.00 -1.60 0.13 0.00 -1.81 0.00 0.00 61.98 58.71 2dmm s VAL 33 Cb -0.14 -1.77 0.25 0.00 0.56 0.00 0.00 36.38 35.28 2dmm s VAL 33 CO 0.02 0.07 1.09 0.00 -0.31 0.00 0.00 175.10 175.98 2dmm n ALA 34 N 1.14 0.67 -0.09 1.32 0.00 -1.26 0.21 120.51 122.49 2dmm n ALA 34 Ca -0.18 0.71 -0.06 0.00 0.00 0.00 0.00 53.44 53.90 2dmm n ALA 34 Cb 0.53 -0.68 0.01 0.00 0.00 0.00 0.00 19.45 19.31 2dmm n ALA 34 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2dmm h GLU 35 N 0.00 0.20 -0.55 0.00 5.08 -1.88 -2.86 114.58 114.56 2dmm h GLU 35 Ca 0.57 -0.01 -0.37 0.00 -1.00 0.00 0.00 59.36 58.54 2dmm h GLU 35 Cb 1.47 -0.04 -0.25 0.00 0.50 0.00 0.00 28.75 30.42 2dmm h GLU 35 CO -0.55 0.13 -0.32 0.27 -1.00 0.00 0.00 179.01 177.54 2dmm n ASN 36 N -5.07 4.05 0.04 1.42 0.23 0.57 -4.74 115.26 111.75 2dmm n ASN 36 Ca 0.01 -3.80 -0.08 0.00 -0.53 0.00 0.00 54.58 50.18 2dmm n ASN 36 Cb 0.14 -0.55 -0.06 0.00 -2.08 0.00 0.00 39.78 37.23 2dmm n ASN 36 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 2dmm h PHE 37 N 1.61 -0.19 0.00 -2.53 3.04 0.09 -2.60 116.94 116.36 2dmm h PHE 37 Ca 0.30 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.25 2dmm h PHE 37 Cb 1.41 0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.98 2dmm h PHE 37 CO 0.98 0.18 0.00 -0.25 -2.02 0.00 0.00 178.31 177.20 2dmm n ASP 38 N -4.89 0.00 -0.07 0.41 8.00 -1.26 -0.23 116.55 118.51 2dmm n ASP 38 Ca -0.06 0.08 -0.22 0.00 0.71 0.00 0.00 54.79 55.30 2dmm n ASP 38 Cb 0.23 -0.25 -0.12 0.00 -0.02 0.00 0.00 41.12 40.95 2dmm n ASP 38 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2dmm n GLU 39 N -1.25 0.64 -0.09 -1.24 2.13 -1.21 -4.17 120.64 115.45 2dmm n GLU 39 Ca 0.05 0.39 -0.10 0.00 0.66 0.00 0.00 57.16 58.17 2dmm n GLU 39 Cb 0.08 -1.68 -0.03 0.00 0.27 0.00 0.00 31.44 30.07 2dmm n GLU 39 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2dmm n ILE 40 N -3.98 1.48 0.09 6.31 5.41 -0.99 -4.65 119.36 123.03 2dmm n ILE 40 Ca -0.36 0.12 -0.15 0.00 1.00 0.00 0.00 62.75 63.35 2dmm n ILE 40 Cb 0.86 -2.32 -0.09 0.00 -0.71 0.00 0.00 39.64 37.38 2dmm n ILE 40 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2dmm h VAL 41 N -1.00 0.00 -2.82 1.39 2.07 -0.81 -3.38 116.25 111.70 2dmm h VAL 41 Ca -0.06 0.00 -0.57 0.00 0.82 0.00 0.00 66.70 66.89 2dmm h VAL 41 Cb 0.92 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 2dmm h VAL 41 CO -0.04 0.00 1.10 0.20 0.02 0.00 0.00 177.57 178.85 2dmm s ASN 42 N -4.49 6.44 -0.30 0.57 0.01 -1.07 -4.81 114.94 111.30 2dmm s ASN 42 Ca -0.15 1.58 -0.08 0.00 -0.71 0.00 0.00 52.86 53.49 2dmm s ASN 42 Cb 0.06 -2.53 0.18 0.00 0.41 0.00 0.00 41.25 39.36 2dmm s ASN 42 CO 0.56 -1.21 0.85 0.21 -1.51 0.00 0.00 177.10 176.00 2dmm s ASN 43 N 3.95 -0.87 0.00 -1.22 3.84 -1.26 -4.55 114.94 114.84 2dmm s ASN 43 Ca 0.69 0.61 0.16 0.00 0.21 0.00 0.00 52.86 54.53 2dmm s ASN 43 Cb -0.24 1.75 0.59 0.00 -0.55 0.00 0.00 41.25 42.80 2dmm s ASN 43 CO 0.28 -0.16 1.43 -0.62 -2.79 0.00 0.00 177.10 175.24 2dmm n GLU 44 N 5.42 1.68 -0.03 0.43 1.02 -1.26 -3.86 120.64 124.03 2dmm n GLU 44 Ca -0.05 -1.03 -0.21 0.00 -0.02 0.00 0.00 57.16 55.85 2dmm n GLU 44 Cb 0.52 -1.33 -0.13 0.00 -0.02 0.00 0.00 31.44 30.48 2dmm n GLU 44 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2dmm n ASN 45 N 0.28 2.09 -4.07 1.62 5.15 -1.26 -4.40 115.26 114.66 2dmm n ASN 45 Ca 0.14 0.16 -0.09 0.00 -0.60 0.00 0.00 54.58 54.18 2dmm n ASN 45 Cb 0.28 -0.79 -0.10 0.00 -0.53 0.00 0.00 39.78 38.64 2dmm n ASN 45 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 2dmm s LYS 46 N -2.54 0.56 0.58 1.20 0.00 -1.25 -5.09 119.74 113.20 2dmm s LYS 46 Ca -0.25 -1.00 -0.18 0.00 0.00 0.00 0.00 55.97 54.53 2dmm s LYS 46 Cb 0.07 0.02 -0.04 0.00 0.00 0.00 0.00 37.83 37.88 2dmm s LYS 46 CO 0.72 -0.05 1.13 -0.51 0.00 0.00 0.00 175.35 176.64 2dmm s ASP 47 N -2.34 5.50 -0.03 0.03 1.11 0.14 -4.73 116.67 116.35 2dmm s ASP 47 Ca -0.01 2.14 -0.09 0.00 0.18 0.00 0.00 52.55 54.77 2dmm s ASP 47 Cb -0.00 -2.57 0.01 0.00 1.07 0.00 0.00 42.92 41.43 2dmm s ASP 47 CO -0.05 -1.37 0.21 -0.69 1.18 0.00 0.00 175.17 174.45 2dmm s VAL 48 N -1.92 0.05 -0.09 -1.27 1.01 -0.85 -2.96 120.40 114.36 2dmm s VAL 48 Ca 0.71 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.31 2dmm s VAL 48 Cb -0.23 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.72 2dmm s VAL 48 CO 0.32 -0.22 -0.16 -0.22 0.00 0.00 0.00 175.10 174.81 2dmm s LEU 49 N -0.85 1.78 -0.07 3.92 2.96 -0.90 0.45 118.68 125.98 2dmm s LEU 49 Ca -0.09 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.40 2dmm s LEU 49 Cb -0.05 -1.08 -0.03 0.00 0.50 0.00 0.00 46.19 45.53 2dmm s LEU 49 CO 0.02 0.05 -0.04 -0.51 -1.32 0.00 0.00 176.35 174.55 2dmm s ILE 50 N 0.75 3.93 -0.25 6.68 1.10 0.19 -1.34 121.20 132.26 2dmm s ILE 50 Ca -0.12 -0.43 0.00 0.00 -0.51 0.00 0.00 60.65 59.60 2dmm s ILE 50 Cb -0.16 -2.64 0.07 0.00 0.15 0.00 0.00 42.46 39.88 2dmm s ILE 50 CO 0.02 0.58 -0.01 -0.70 -2.11 0.00 0.00 174.94 172.72 2dmm s GLU 51 N -0.92 1.37 -0.45 3.50 2.12 -1.19 -0.43 118.70 122.71 2dmm s GLU 51 Ca 0.13 -1.03 -0.25 0.00 0.36 0.00 0.00 54.97 54.19 2dmm s GLU 51 Cb -0.11 -2.52 0.03 0.00 0.26 0.00 0.00 34.13 31.79 2dmm s GLU 51 CO 0.03 -0.69 0.89 -0.06 -0.54 0.00 0.00 175.26 174.88 2dmm s PHE 52 N 1.43 2.96 0.38 5.30 0.08 -0.33 -2.13 117.98 125.66 2dmm s PHE 52 Ca -0.01 0.37 0.08 0.00 0.12 0.00 0.00 56.93 57.49 2dmm s PHE 52 Cb -0.18 -3.86 -0.07 0.00 -0.57 0.00 0.00 43.02 38.34 2dmm s PHE 52 CO -0.09 -1.04 -0.01 1.52 -0.10 0.00 0.00 175.22 175.50 2dmm s TYR 53 N 3.61 2.49 -0.09 0.36 -0.85 -1.12 -2.40 117.35 119.35 2dmm s TYR 53 Ca 0.35 -0.59 0.02 0.00 -0.52 0.00 0.00 57.07 56.34 2dmm s TYR 53 Cb -0.11 -1.64 0.01 0.00 0.38 0.00 0.00 41.96 40.61 2dmm s TYR 53 CO 0.25 0.48 -0.15 0.00 -1.52 0.00 0.00 175.55 174.61 2dmm s ALA 54 N -2.65 1.53 -1.34 9.51 0.00 -1.26 -3.82 121.76 123.72 2dmm s ALA 54 Ca 0.35 -0.60 0.15 0.00 0.00 0.00 0.00 51.96 51.85 2dmm s ALA 54 Cb 0.06 -0.71 0.71 0.00 0.00 0.00 0.00 23.12 23.19 2dmm s ALA 54 CO 0.18 0.05 1.41 -0.35 0.00 0.00 0.00 175.76 177.05 2dmm n PRO 55 N 3.96 0.16 -0.07 0.00 -0.04 -1.26 -2.03 135.00 135.73 2dmm n PRO 55 Ca -0.21 0.17 0.05 0.00 -0.04 0.00 0.00 63.50 63.47 2dmm n PRO 55 Cb 0.52 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.56 2dmm n PRO 55 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2dmm n TRP 56 N -1.33 0.10 -4.37 0.54 4.27 -1.26 -4.98 117.44 110.41 2dmm n TRP 56 Ca 0.06 -0.71 -0.33 0.00 -3.89 0.00 0.00 57.50 52.63 2dmm n TRP 56 Cb 0.13 -0.10 -0.15 0.00 -1.36 0.00 0.00 31.31 29.82 2dmm n TRP 56 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2dmm h GLY 58 N 7.56 -1.13 -1.27 0.00 0.00 -1.94 -1.71 103.07 104.59 2dmm h GLY 58 Ca -0.37 0.42 0.46 0.00 0.00 0.00 0.00 47.33 47.84 2dmm h GLY 58 CO 0.59 -0.41 0.79 1.42 0.00 0.00 0.00 176.54 178.92 2dmm n HIS 59 N -5.11 0.82 0.03 5.60 8.25 -1.26 0.20 115.22 123.74 2dmm n HIS 59 Ca -0.13 0.83 -0.18 0.00 -0.26 0.00 0.00 57.72 57.97 2dmm n HIS 59 Cb 0.43 -1.25 -0.08 0.00 1.12 0.00 0.00 29.99 30.21 2dmm n HIS 59 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dmm h LYS 61 N 0.41 0.71 0.00 0.00 3.64 0.32 -0.36 116.57 121.29 2dmm h LYS 61 Ca -0.09 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.15 2dmm h LYS 61 Cb 1.57 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 33.26 2dmm h LYS 61 CO 0.18 0.60 -0.15 -0.97 -2.27 0.00 0.00 179.45 176.84 2dmm h ASN 62 N 0.70 0.00 0.96 4.20 -0.73 -1.12 -3.00 115.58 116.60 2dmm h ASN 62 Ca 0.17 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.23 2dmm h ASN 62 Cb 0.18 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.75 2dmm h ASN 62 CO -0.01 0.15 -1.09 0.25 -0.37 0.00 0.00 177.43 176.36 2dmm h LEU 63 N 0.00 0.00 -0.90 0.34 5.85 -1.14 -3.37 115.31 116.09 2dmm h LEU 63 Ca -0.00 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.82 2dmm h LEU 63 Cb 0.81 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.72 2dmm h LEU 63 CO 0.02 0.37 -0.47 1.21 -0.34 0.00 0.00 178.44 179.23 2dmm n GLU 64 N -2.89 -0.34 0.04 1.25 2.13 -0.24 0.41 120.64 121.00 2dmm n GLU 64 Ca -0.05 1.36 -0.05 0.00 0.66 0.00 0.00 57.16 59.08 2dmm n GLU 64 Cb 0.73 -2.01 0.14 0.00 0.27 0.00 0.00 31.44 30.57 2dmm n GLU 64 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 2dmm h PRO 65 N 0.00 0.41 0.00 5.31 0.13 -1.77 0.55 132.00 136.63 2dmm h PRO 65 Ca 0.20 -0.22 -0.03 0.00 -0.87 0.00 0.00 66.00 65.08 2dmm h PRO 65 Cb 0.42 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.55 2dmm h PRO 65 CO -0.86 0.78 -0.16 0.87 -0.23 0.00 0.00 178.00 178.40 2dmm h LYS 66 N 0.33 0.00 0.05 0.86 1.57 -0.43 -3.04 116.57 115.91 2dmm h LYS 66 Ca 0.02 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.43 2dmm h LYS 66 Cb 0.91 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.17 2dmm h LYS 66 CO 0.08 0.16 -2.27 0.98 -0.57 0.00 0.00 179.45 177.83 2dmm n TYR 67 N -3.62 0.50 -0.10 -1.35 9.36 0.16 -4.24 117.16 117.87 2dmm n TYR 67 Ca -0.01 0.11 -0.10 0.00 3.32 0.00 0.00 57.90 61.22 2dmm n TYR 67 Cb 0.29 -1.07 -0.04 0.00 -0.63 0.00 0.00 39.34 37.89 2dmm n TYR 67 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 2dmm h LYS 68 N 0.03 -0.33 -0.80 2.98 3.64 -0.81 -1.83 116.57 119.44 2dmm h LYS 68 Ca -0.51 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.01 2dmm h LYS 68 Cb 1.98 0.08 -0.13 0.00 -0.41 0.00 0.00 32.23 33.75 2dmm h LYS 68 CO -0.01 -0.22 -0.44 0.93 -2.27 0.00 0.00 179.45 177.44 2dmm h GLU 69 N -0.35 -0.10 -0.99 1.90 3.07 -1.75 0.40 114.58 116.76 2dmm h GLU 69 Ca 0.13 0.01 0.36 0.00 -0.50 0.00 0.00 59.36 59.36 2dmm h GLU 69 Cb 0.58 0.02 -0.18 0.00 -0.84 0.00 0.00 28.75 28.34 2dmm h GLU 69 CO -0.54 -0.07 0.38 1.25 -1.40 0.00 0.00 179.01 178.64 2dmm h LEU 70 N -0.10 0.09 0.10 1.33 5.85 -1.54 0.42 115.31 121.46 2dmm h LEU 70 Ca 0.24 0.26 -0.00 0.00 0.84 0.00 0.00 57.88 59.21 2dmm h LEU 70 Cb 0.55 0.32 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 2dmm h LEU 70 CO -0.84 -0.38 -0.06 1.23 -0.34 0.00 0.00 178.44 178.05 2dmm h GLY 71 N 0.03 -0.35 1.66 3.75 0.00 -0.13 0.45 103.07 108.49 2dmm h GLY 71 Ca 0.76 0.15 0.04 0.00 0.00 0.00 0.00 47.33 48.27 2dmm h GLY 71 CO -0.80 -0.13 0.13 1.05 0.00 0.00 0.00 176.54 176.80 2dmm h GLU 72 N -0.14 0.00 -0.07 4.80 4.11 -1.23 0.55 114.58 122.60 2dmm h GLU 72 Ca -0.01 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.17 2dmm h GLU 72 Cb 0.11 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.38 2dmm h GLU 72 CO 0.02 0.00 -0.91 0.87 0.07 0.00 0.00 179.01 179.06 2dmm h LYS 73 N 0.00 0.72 -0.07 1.06 1.79 0.05 -3.12 116.57 117.00 2dmm h LYS 73 Ca 0.06 -0.68 0.00 0.00 -2.18 0.00 0.00 60.65 57.85 2dmm h LYS 73 Cb 0.33 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 2dmm h LYS 73 CO -0.00 1.27 0.00 1.28 -1.08 0.00 0.00 179.45 180.92 2dmm n LEU 74 N -3.88 1.42 0.29 2.94 4.77 0.16 -4.13 117.00 118.57 2dmm n LEU 74 Ca -0.09 -0.53 0.14 0.00 -0.03 0.00 0.00 56.01 55.51 2dmm n LEU 74 Cb 0.81 -0.04 0.71 0.00 -2.33 0.00 0.00 43.42 42.57 2dmm n LEU 74 CO 0.54 0.26 1.12 -1.28 -1.33 0.00 0.00 177.39 176.71 2dmm h SER 75 N 2.08 0.00 -0.35 -1.43 0.87 -0.88 0.91 113.55 114.75 2dmm h SER 75 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2dmm h SER 75 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2dmm h SER 75 CO 0.00 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 176.59 2dmm n LYS 76 N -2.96 3.04 -3.65 2.24 4.76 -1.26 -4.75 118.16 115.59 2dmm n LYS 76 Ca -0.00 -1.77 -0.39 0.00 -2.87 0.00 0.00 58.31 53.28 2dmm n LYS 76 Cb 0.50 -1.84 -0.10 0.00 -1.84 0.00 0.00 35.03 31.75 2dmm n LYS 76 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2dmm s ASP 77 N -0.54 5.51 0.00 4.39 1.01 0.31 -4.93 116.67 122.43 2dmm s ASP 77 Ca 0.31 -1.98 0.15 0.00 0.71 0.00 0.00 52.55 51.75 2dmm s ASP 77 Cb 0.22 -1.93 0.88 0.00 1.01 0.00 0.00 42.92 43.11 2dmm s ASP 77 CO 0.11 -0.63 1.35 -0.81 0.21 0.00 0.00 175.17 175.40 2dmm n PRO 78 N 4.76 0.42 -0.03 8.23 -0.04 -1.26 -2.82 135.00 144.26 2dmm n PRO 78 Ca -0.05 0.03 -0.03 0.00 -0.04 0.00 0.00 63.50 63.41 2dmm n PRO 78 Cb 0.41 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.34 2dmm n PRO 78 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2dmm n ASN 79 N -1.07 3.63 -4.88 3.54 5.03 -1.26 -4.93 115.26 115.32 2dmm n ASN 79 Ca 0.11 -0.02 -0.36 0.00 0.87 0.00 0.00 54.58 55.18 2dmm n ASN 79 Cb 0.07 0.25 -0.06 0.00 -1.02 0.00 0.00 39.78 39.02 2dmm n ASN 79 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2dmm s ILE 80 N -2.12 5.43 -0.21 2.41 1.01 -1.13 0.24 121.20 126.83 2dmm s ILE 80 Ca -0.06 0.15 -0.05 0.00 0.00 0.00 0.00 60.65 60.70 2dmm s ILE 80 Cb 0.02 -3.48 0.07 0.00 0.01 0.00 0.00 42.46 39.08 2dmm s ILE 80 CO 0.18 0.51 0.10 -0.69 0.00 0.00 0.00 174.94 175.03 2dmm s VAL 81 N -1.15 -0.08 -0.02 2.92 1.01 -1.15 -4.60 120.40 117.32 2dmm s VAL 81 Ca 0.20 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 2dmm s VAL 81 Cb -0.13 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 2dmm s VAL 81 CO 0.10 -0.42 1.23 -0.63 0.00 0.00 0.00 175.10 175.39 2dmm s ILE 82 N 2.13 4.11 0.29 2.22 -1.09 -1.26 -2.12 121.20 125.47 2dmm s ILE 82 Ca 0.04 1.47 0.03 0.00 -2.23 0.00 0.00 60.65 59.96 2dmm s ILE 82 Cb -0.16 -3.94 -0.06 0.00 -1.58 0.00 0.00 42.46 36.72 2dmm s ILE 82 CO -0.17 0.03 0.06 0.00 -1.23 0.00 0.00 174.94 173.62 2dmm s ALA 83 N 1.95 2.06 -0.01 9.38 0.00 -0.45 -0.20 121.76 134.49 2dmm s ALA 83 Ca 0.58 -1.95 0.01 0.00 0.00 0.00 0.00 51.96 50.60 2dmm s ALA 83 Cb -0.27 0.75 0.01 0.00 0.00 0.00 0.00 23.12 23.61 2dmm s ALA 83 CO 0.24 -0.34 -0.02 -1.59 0.00 0.00 0.00 175.76 174.05 2dmm s LYS 84 N -3.93 0.28 -0.01 0.00 -2.85 0.13 -3.14 119.74 110.22 2dmm s LYS 84 Ca 0.35 -0.03 -0.02 0.00 -1.00 0.00 0.00 55.97 55.27 2dmm s LYS 84 Cb 0.08 -0.35 -0.00 0.00 -2.06 0.00 0.00 37.83 35.50 2dmm s LYS 84 CO 0.14 -0.02 0.04 1.41 0.10 0.00 0.00 175.35 177.02 2dmm s MET 85 N 0.39 0.17 -0.31 1.78 1.75 -0.91 0.44 119.30 122.62 2dmm s MET 85 Ca -0.04 -0.17 -0.13 0.00 -1.25 0.00 0.00 55.69 54.10 2dmm s MET 85 Cb -0.07 0.07 -0.03 0.00 2.84 0.00 0.00 34.83 37.64 2dmm s MET 85 CO -0.01 -0.03 0.27 0.34 -0.65 0.00 0.00 175.02 174.94 2dmm s ASP 86 N -0.54 6.10 0.01 1.11 -1.08 -1.26 -2.79 116.67 118.22 2dmm s ASP 86 Ca -0.06 -0.10 -0.26 0.00 -0.52 0.00 0.00 52.55 51.61 2dmm s ASP 86 Cb -0.04 -2.16 -0.15 0.00 -1.46 0.00 0.00 42.92 39.12 2dmm s ASP 86 CO -0.00 -0.18 1.09 0.00 0.52 0.00 0.00 175.17 176.60 2dmm h ALA 87 N 8.38 -0.86 -0.05 3.66 0.00 -1.73 1.47 119.26 130.14 2dmm h ALA 87 Ca -0.32 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.40 2dmm h ALA 87 Cb 1.17 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 2dmm h ALA 87 CO 0.62 -0.82 0.21 0.00 0.00 0.00 0.00 179.25 179.26 2dmm h THR 88 N -1.18 0.10 0.00 0.00 1.03 -1.94 0.32 112.91 111.23 2dmm h THR 88 Ca -0.09 0.00 -0.19 0.00 -0.01 0.00 0.00 66.41 66.12 2dmm h THR 88 Cb 0.68 0.80 -0.04 0.00 -1.07 0.00 0.00 68.15 68.53 2dmm h THR 88 CO 0.14 0.00 -2.18 0.00 -0.01 0.00 0.00 175.52 173.47 2dmm n ALA 89 N -2.04 2.14 -3.70 0.00 0.00 -1.12 -4.84 120.51 110.94 2dmm n ALA 89 Ca -0.01 -0.93 -0.29 0.00 0.00 0.00 0.00 53.44 52.21 2dmm n ALA 89 Cb 0.28 -0.47 -0.16 0.00 0.00 0.00 0.00 19.45 19.11 2dmm n ALA 89 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2dmm s ASN 90 N -5.03 3.47 -0.39 0.00 0.01 0.50 -4.01 114.94 109.50 2dmm s ASN 90 Ca -0.09 -1.23 -0.45 0.00 -0.71 0.00 0.00 52.86 50.38 2dmm s ASN 90 Cb 0.10 -0.65 -0.20 0.00 0.41 0.00 0.00 41.25 40.91 2dmm s ASN 90 CO 0.87 -0.38 1.49 -0.67 -1.51 0.00 0.00 177.10 176.90 2dmm n ASP 91 N 5.01 0.98 -4.68 -1.22 2.03 -1.18 -4.21 116.55 113.28 2dmm n ASP 91 Ca -0.06 1.18 -0.42 0.00 0.52 0.00 0.00 54.79 56.01 2dmm n ASP 91 Cb 0.44 -0.90 -0.03 0.00 -0.72 0.00 0.00 41.12 39.92 2dmm n ASP 91 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2dmm s VAL 92 N 2.36 3.77 0.00 5.18 1.01 -1.26 -4.73 120.40 126.73 2dmm s VAL 92 Ca 1.02 1.09 0.00 0.00 0.00 0.00 0.00 61.98 64.09 2dmm s VAL 92 Cb -1.44 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 31.24 2dmm s VAL 92 CO 0.76 -0.03 0.00 -0.81 0.00 0.00 0.00 175.10 175.02 2dmm n PRO 93 N 5.86 -0.66 -4.45 2.72 -0.04 -1.26 -4.91 135.00 132.27 2dmm n PRO 93 Ca 0.14 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.37 2dmm n PRO 93 Cb 0.44 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.80 2dmm n PRO 93 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dmm s SER 94 N -1.51 3.31 0.00 3.54 0.01 -1.26 -3.07 113.70 114.71 2dmm s SER 94 Ca 0.00 -1.06 0.14 0.00 1.31 0.00 0.00 55.95 56.35 2dmm s SER 94 Cb 0.00 -0.26 0.65 0.00 0.21 0.00 0.00 66.02 66.62 2dmm s SER 94 CO 0.00 -0.06 1.44 -0.81 0.41 0.00 0.00 173.24 174.22 2dmm n PRO 95 N -0.58 0.07 -1.18 12.44 -0.04 -1.26 -4.42 135.00 140.02 2dmm n PRO 95 Ca -0.06 0.22 -0.46 0.00 -0.04 0.00 0.00 63.50 63.16 2dmm n PRO 95 Cb 0.61 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.50 2dmm n PRO 95 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2dmm n TYR 96 N -1.43 1.00 -3.86 0.54 4.01 -1.17 -4.92 117.16 111.33 2dmm n TYR 96 Ca 0.05 0.79 -0.27 0.00 -0.16 0.00 0.00 57.90 58.30 2dmm n TYR 96 Cb 0.15 -1.55 -0.17 0.00 -0.31 0.00 0.00 39.34 37.47 2dmm n TYR 96 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2dmm s GLU 97 N 1.47 1.25 -0.12 -0.72 0.41 -1.26 -4.52 118.70 115.21 2dmm s GLU 97 Ca 0.71 -0.43 0.00 0.00 -0.41 0.00 0.00 54.97 54.85 2dmm s GLU 97 Cb -1.01 -1.89 -0.02 0.00 -1.78 0.00 0.00 34.13 29.44 2dmm s GLU 97 CO 0.53 -0.44 -0.14 0.08 -0.49 0.00 0.00 175.26 174.80 2dmm s VAL 98 N 1.70 3.02 0.00 2.63 1.01 -1.26 -4.97 120.40 122.53 2dmm s VAL 98 Ca 0.01 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.31 2dmm s VAL 98 Cb -0.15 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 33.97 2dmm s VAL 98 CO -0.07 0.53 0.00 -1.14 0.00 0.00 0.00 175.10 174.42 2dmm n ARG 99 N 3.38 0.00 -4.53 2.72 0.00 -1.26 -5.07 116.66 111.90 2dmm n ARG 99 Ca -0.18 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.34 2dmm n ARG 99 Cb 0.53 -0.22 -0.15 0.00 0.00 0.00 0.00 32.46 32.61 2dmm n ARG 99 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2dmm s GLY 100 N -5.00 1.49 0.21 5.14 0.00 -1.26 -5.12 107.32 102.78 2dmm s GLY 100 Ca 0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 44.72 43.68 2dmm s GLY 100 CO 0.00 0.02 0.39 -1.36 0.00 0.00 0.00 173.10 172.15 2dmm s PHE 101 N 0.78 3.48 0.66 1.90 0.40 -1.26 -4.01 117.98 119.93 2dmm s PHE 101 Ca -0.05 0.34 -0.15 0.00 -0.60 0.00 0.00 56.93 56.46 2dmm s PHE 101 Cb -0.15 -1.85 -0.00 0.00 0.51 0.00 0.00 43.02 41.53 2dmm s PHE 101 CO 0.00 0.37 1.11 -1.25 0.70 0.00 0.00 175.22 176.16 2dmm s PRO 102 N -3.35 2.81 -0.29 0.24 0.04 -1.26 -4.97 135.00 128.22 2dmm s PRO 102 Ca 0.38 1.39 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 2dmm s PRO 102 Cb -0.11 -1.95 0.09 0.00 0.04 0.00 0.00 34.50 32.57 2dmm s PRO 102 CO 0.29 -1.25 0.08 0.99 0.04 0.00 0.00 177.00 177.16 2dmm s THR 103 N -2.33 0.77 -0.06 1.26 2.01 -1.01 -5.06 115.64 111.21 2dmm s THR 103 Ca 0.67 -1.20 -0.12 0.00 0.31 0.00 0.00 61.69 61.35 2dmm s THR 103 Cb -0.21 -1.51 -0.05 0.00 0.01 0.00 0.00 72.50 70.74 2dmm s THR 103 CO 0.41 -0.58 0.30 -0.63 -0.69 0.00 0.00 174.62 173.44 2dmm s ILE 104 N 1.69 5.23 -0.00 1.82 1.01 -1.26 -1.19 121.20 128.49 2dmm s ILE 104 Ca 0.07 0.59 0.02 0.00 0.00 0.00 0.00 60.65 61.33 2dmm s ILE 104 Cb -0.17 -3.60 -0.00 0.00 0.01 0.00 0.00 42.46 38.70 2dmm s ILE 104 CO -0.23 0.56 -0.05 -0.31 0.00 0.00 0.00 174.94 174.91 2dmm s TYR 105 N -0.83 0.49 -0.12 3.97 2.02 0.43 -3.25 117.35 120.06 2dmm s TYR 105 Ca 0.20 -0.10 0.01 0.00 -0.37 0.00 0.00 57.07 56.80 2dmm s TYR 105 Cb -0.15 -0.31 -0.01 0.00 -0.40 0.00 0.00 41.96 41.09 2dmm s TYR 105 CO 0.09 -0.01 -0.15 0.12 -1.57 0.00 0.00 175.55 174.03 2dmm s PHE 106 N -0.16 2.77 -0.59 2.71 5.36 0.16 0.55 117.98 128.79 2dmm s PHE 106 Ca 0.02 -0.67 -0.14 0.00 -0.96 0.00 0.00 56.93 55.18 2dmm s PHE 106 Cb -0.02 -1.82 0.15 0.00 -0.34 0.00 0.00 43.02 40.99 2dmm s PHE 106 CO -0.00 -0.22 0.52 -1.12 -1.46 0.00 0.00 175.22 172.94 2dmm s SER 107 N 0.30 6.17 1.02 6.13 0.01 0.17 -2.16 113.70 125.33 2dmm s SER 107 Ca -0.11 -2.04 -0.13 0.00 1.31 0.00 0.00 55.95 54.98 2dmm s SER 107 Cb -0.16 -2.15 0.20 0.00 0.21 0.00 0.00 66.02 64.11 2dmm s SER 107 CO 0.06 -0.75 1.09 -2.16 0.41 0.00 0.00 173.24 171.89 2dmm s PRO 108 N 1.20 0.28 0.17 12.44 0.04 -1.26 -2.01 135.00 145.86 2dmm s PRO 108 Ca 0.07 0.48 -0.21 0.00 0.04 0.00 0.00 61.00 61.37 2dmm s PRO 108 Cb -0.25 -1.72 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 2dmm s PRO 108 CO -0.00 -2.82 0.71 0.00 0.04 0.00 0.00 177.00 174.92 2dmm s ALA 109 N -2.96 3.47 -0.61 8.56 0.00 -1.26 -3.84 121.76 125.10 2dmm s ALA 109 Ca 0.66 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.81 2dmm s ALA 109 Cb -0.19 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.11 2dmm s ALA 109 CO 0.58 0.33 0.00 0.27 0.00 0.00 0.00 175.76 176.94 2dmm n ASN 110 N 1.21 -2.11 -2.15 0.00 0.23 -1.26 -4.75 115.26 106.43 2dmm n ASN 110 Ca -0.05 0.25 -0.15 0.00 -0.53 0.00 0.00 54.58 54.10 2dmm n ASN 110 Cb 0.50 -2.03 0.04 0.00 -2.08 0.00 0.00 39.78 36.21 2dmm n ASN 110 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2dmm n LYS 111 N -2.05 2.88 0.32 -3.83 5.02 -1.25 -4.87 118.16 114.38 2dmm n LYS 111 Ca -0.07 -3.88 -0.13 0.00 -2.02 0.00 0.00 58.31 52.21 2dmm n LYS 111 Cb 0.39 -1.99 -0.06 0.00 -0.02 0.00 0.00 35.03 33.34 2dmm n LYS 111 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2dmm h LYS 112 N 2.20 -0.82 -0.76 1.97 1.79 -1.85 -3.07 116.57 116.02 2dmm h LYS 112 Ca 0.19 0.06 0.30 0.00 -2.18 0.00 0.00 60.65 59.02 2dmm h LYS 112 Cb 1.44 0.19 -0.12 0.00 -1.58 0.00 0.00 32.23 32.16 2dmm h LYS 112 CO 0.54 -0.55 0.44 1.28 -1.08 0.00 0.00 179.45 180.08 2dmm n LEU 113 N -4.96 0.21 -3.67 2.94 4.77 -1.26 -2.96 117.00 112.07 2dmm n LEU 113 Ca -0.11 1.08 -0.30 0.00 -0.03 0.00 0.00 56.01 56.66 2dmm n LEU 113 Cb 0.34 -0.53 -0.15 0.00 -2.33 0.00 0.00 43.42 40.75 2dmm n LEU 113 CO 0.26 -1.20 -0.33 0.20 -1.33 0.00 0.00 177.39 174.98 2dmm s ASN 114 N -4.58 3.88 1.22 -1.43 -0.87 -1.16 -5.00 114.94 106.99 2dmm s ASN 114 Ca -0.06 -1.56 -0.20 0.00 -1.57 0.00 0.00 52.86 49.47 2dmm s ASN 114 Cb 0.23 -0.72 0.29 0.00 -0.02 0.00 0.00 41.25 41.04 2dmm s ASN 114 CO 0.54 -0.42 1.11 -2.16 -2.57 0.00 0.00 177.10 173.60 2dmm s PRO 115 N 1.73 -1.37 -0.08 -0.60 0.04 -1.16 -4.83 135.00 128.73 2dmm s PRO 115 Ca 0.10 -0.12 0.01 0.00 0.04 0.00 0.00 61.00 61.04 2dmm s PRO 115 Cb -0.17 -1.58 0.02 0.00 0.04 0.00 0.00 34.50 32.80 2dmm s PRO 115 CO -0.28 -3.80 -0.11 0.21 0.04 0.00 0.00 177.00 173.06 2dmm s LYS 116 N -5.44 1.69 -0.25 4.56 2.47 -0.92 -5.02 119.74 116.84 2dmm s LYS 116 Ca 0.71 -0.38 -0.10 0.00 -1.56 0.00 0.00 55.97 54.64 2dmm s LYS 116 Cb -0.09 -1.49 -0.05 0.00 -1.46 0.00 0.00 37.83 34.74 2dmm s LYS 116 CO 0.56 -0.06 0.15 0.21 0.16 0.00 0.00 175.35 176.37 2dmm s LYS 117 N 0.96 3.98 -0.13 4.03 2.20 -1.26 0.39 119.74 129.91 2dmm s LYS 117 Ca -0.09 -0.31 -0.29 0.00 -0.36 0.00 0.00 55.97 54.92 2dmm s LYS 117 Cb -0.15 -3.52 -0.06 0.00 -1.51 0.00 0.00 37.83 32.59 2dmm s LYS 117 CO 0.00 -0.01 2.12 -0.47 -0.36 0.00 0.00 175.35 176.63 2dmm s TYR 118 N 1.25 1.22 -0.39 4.03 5.04 -1.20 -4.91 117.35 122.39 2dmm s TYR 118 Ca 0.07 0.19 0.03 0.00 -2.44 0.00 0.00 57.07 54.92 2dmm s TYR 118 Cb -0.14 -4.04 0.11 0.00 0.35 0.00 0.00 41.96 38.24 2dmm s TYR 118 CO 0.06 -4.58 0.14 -1.21 -1.34 0.00 0.00 175.55 168.62 2dmm s GLU 119 N 5.68 1.39 0.00 4.97 2.02 -1.26 -4.81 118.70 126.69 2dmm s GLU 119 Ca 0.96 -1.89 0.00 0.00 0.02 0.00 0.00 54.97 54.06 2dmm s GLU 119 Cb -0.36 -2.81 0.00 0.00 0.10 0.00 0.00 34.13 31.06 2dmm s GLU 119 CO 0.37 -1.03 0.00 0.41 0.02 0.00 0.00 175.26 175.03 2dmm n GLY 120 N 4.00 1.11 3.76 -1.39 0.00 -1.26 -5.14 105.19 106.27 2dmm n GLY 120 Ca 0.04 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 2dmm n GLY 120 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dmm s GLY 121 N 0.00 2.82 -0.14 -0.02 0.00 -1.26 -4.95 107.32 103.77 2dmm s GLY 121 Ca 0.00 0.29 -0.03 0.00 0.00 0.00 0.00 44.72 44.98 2dmm s GLY 121 CO 0.00 0.99 2.78 0.54 0.00 0.00 0.00 173.10 177.40 2dmm n ARG 122 N 2.38 1.79 -4.12 2.90 1.74 -1.26 -4.49 116.66 115.60 2dmm n ARG 122 Ca -0.04 -1.10 -0.35 0.00 -0.77 0.00 0.00 57.85 55.60 2dmm n ARG 122 Cb 0.50 -1.71 -0.10 0.00 -1.02 0.00 0.00 32.46 30.13 2dmm n ARG 122 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2dmm s GLU 123 N -0.26 3.75 0.19 5.56 2.56 -1.26 -4.97 118.70 124.27 2dmm s GLU 123 Ca 0.42 -0.37 -0.11 0.00 0.00 0.00 0.00 54.97 54.91 2dmm s GLU 123 Cb 0.24 -3.10 0.23 0.00 2.00 0.00 0.00 34.13 33.49 2dmm s GLU 123 CO -0.05 0.36 1.19 -0.11 -0.56 0.00 0.00 175.26 176.10 2dmm n LEU 124 N 3.23 -0.44 -0.11 2.70 -0.00 -1.26 0.12 117.00 121.24 2dmm n LEU 124 Ca -0.17 1.33 -0.10 0.00 -0.00 0.00 0.00 56.01 57.07 2dmm n LEU 124 Cb 0.53 -0.33 -0.02 0.00 -0.00 0.00 0.00 43.42 43.60 2dmm n LEU 124 CO 0.34 -1.21 0.89 0.28 -0.00 0.00 0.00 177.39 177.68 2dmm h SER 125 N 0.00 0.48 -0.91 1.96 0.02 -1.94 -2.81 113.55 110.35 2dmm h SER 125 Ca 0.29 -0.19 0.24 0.00 -0.84 0.00 0.00 61.79 61.30 2dmm h SER 125 Cb 0.48 -0.13 -0.13 0.00 0.14 0.00 0.00 62.40 62.76 2dmm h SER 125 CO -0.77 0.54 0.39 -0.78 -1.14 0.00 0.00 176.83 175.07 2dmm h ASP 126 N 0.40 0.29 -0.22 3.07 1.82 0.69 0.10 116.42 122.57 2dmm h ASP 126 Ca 0.11 0.17 -0.02 0.00 -0.39 0.00 0.00 57.03 56.90 2dmm h ASP 126 Cb 0.22 0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.38 2dmm h ASP 126 CO -0.01 -0.06 0.04 -0.26 -1.61 0.00 0.00 179.24 177.35 2dmm h PHE 127 N 0.35 0.38 0.38 0.28 0.04 -1.03 -0.55 116.94 116.79 2dmm h PHE 127 Ca 0.59 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 61.31 2dmm h PHE 127 Cb 1.18 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 39.20 2dmm h PHE 127 CO -0.14 0.48 -0.51 0.82 -0.60 0.00 0.00 178.31 178.37 2dmm h ILE 128 N 0.17 0.02 -0.78 -0.55 2.04 -0.67 -0.68 117.51 117.07 2dmm h ILE 128 Ca 0.07 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.96 2dmm h ILE 128 Cb 0.30 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.36 2dmm h ILE 128 CO 0.00 0.00 0.51 -1.28 0.00 0.00 0.00 178.15 177.38 2dmm h SER 129 N -0.92 0.84 0.28 1.72 0.87 -1.31 0.13 113.55 115.15 2dmm h SER 129 Ca -0.04 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2dmm h SER 129 Cb 0.83 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.57 2dmm h SER 129 CO -0.13 0.58 -0.28 0.22 -0.53 0.00 0.00 176.83 176.69 2dmm h TYR 130 N 0.98 -0.76 -0.37 2.24 5.03 -0.50 -2.50 116.97 121.08 2dmm h TYR 130 Ca 0.30 0.01 -0.13 0.00 2.58 0.00 0.00 58.73 61.49 2dmm h TYR 130 Cb 0.01 0.30 -0.01 0.00 1.55 0.00 0.00 36.73 38.57 2dmm h TYR 130 CO -0.00 -0.41 -0.30 -0.07 -1.32 0.00 0.00 178.16 176.06 2dmm h LEU 131 N -0.59 0.83 -0.83 2.82 3.38 -0.86 0.36 115.31 120.42 2dmm h LEU 131 Ca -0.01 -0.34 0.20 0.00 0.09 0.00 0.00 57.88 57.83 2dmm h LEU 131 Cb 0.55 -0.23 -0.13 0.00 0.09 0.00 0.00 40.66 40.94 2dmm h LEU 131 CO -0.06 1.07 0.25 1.56 0.09 0.00 0.00 178.44 181.35 2dmm h GLN 132 N 0.68 0.27 0.03 1.13 4.20 -0.48 0.56 115.11 121.50 2dmm h GLN 132 Ca 0.08 -0.02 -0.34 0.00 0.06 0.00 0.00 58.65 58.43 2dmm h GLN 132 Cb 0.84 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.51 2dmm h GLN 132 CO 0.07 0.18 -1.90 2.89 -0.67 0.00 0.00 178.83 179.40 2dmm n ARG 133 N -5.16 0.63 0.32 1.46 1.85 -0.97 -4.57 116.66 110.23 2dmm n ARG 133 Ca 0.19 0.37 -0.15 0.00 -1.00 0.00 0.00 57.85 57.26 2dmm n ARG 133 Cb 0.59 -1.65 -0.08 0.00 -1.05 0.00 0.00 32.46 30.28 2dmm n ARG 133 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2dmm h GLU 134 N -0.63 -0.88 -5.36 2.89 4.39 -0.06 -3.41 114.58 111.52 2dmm h GLU 134 Ca -0.48 0.06 -0.63 0.00 0.34 0.00 0.00 59.36 58.64 2dmm h GLU 134 Cb 1.62 0.20 -0.06 0.00 -0.10 0.00 0.00 28.75 30.41 2dmm h GLU 134 CO -0.18 -0.59 1.44 0.00 -1.16 0.00 0.00 179.01 178.52 2dmm n ALA 135 N -2.59 0.24 -0.31 3.43 0.00 0.19 -4.77 120.51 116.70 2dmm n ALA 135 Ca -0.11 -0.01 -0.06 0.00 0.00 0.00 0.00 53.44 53.26 2dmm n ALA 135 Cb 0.38 -2.07 -0.02 0.00 0.00 0.00 0.00 19.45 17.74 2dmm n ALA 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dmm h THR 136 N 7.12 0.05 -0.35 0.00 1.03 -1.86 -0.03 112.91 118.87 2dmm h THR 136 Ca -0.08 0.00 -0.06 0.00 -0.01 0.00 0.00 66.41 66.27 2dmm h THR 136 Cb 1.32 0.05 -0.01 0.00 -1.07 0.00 0.00 68.15 68.43 2dmm h THR 136 CO 1.17 0.00 -0.01 -1.28 -0.01 0.00 0.00 175.52 175.39 2dmm h SER 137 N -0.10 0.62 -3.67 0.00 0.87 -1.95 -3.49 113.55 105.82 2dmm h SER 137 Ca 0.24 -0.31 0.30 0.00 -1.23 0.00 0.00 61.79 60.79 2dmm h SER 137 Cb 0.55 -0.17 -0.17 0.00 -0.44 0.00 0.00 62.40 62.17 2dmm h SER 137 CO -0.84 0.78 -1.23 0.61 -0.53 0.00 0.00 176.83 175.62 2dmm n GLY 138 N -0.33 -3.47 3.73 5.77 0.00 -0.03 -4.80 105.19 106.06 2dmm n GLY 138 Ca -0.02 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 2dmm n GLY 138 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmm s PRO 139 N -4.42 4.38 -0.07 1.61 0.04 -1.26 -4.92 135.00 130.36 2dmm s PRO 139 Ca 0.00 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.06 2dmm s PRO 139 Cb 0.00 -3.21 -0.01 0.00 0.04 0.00 0.00 34.50 31.31 2dmm s PRO 139 CO 0.00 -0.29 0.10 1.03 0.04 0.00 0.00 177.00 177.88 2dmm h SER 140 N 5.76 -0.06 -7.18 6.66 0.87 -1.94 -3.47 113.55 114.19 2dmm h SER 140 Ca -0.44 0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 59.49 2dmm h SER 140 Cb 1.21 0.02 -0.35 0.00 -0.44 0.00 0.00 62.40 62.83 2dmm h SER 140 CO 0.79 0.30 -0.92 -1.54 -0.53 0.00 0.00 176.83 174.93 2dmm n SER 141 N -4.10 -1.29 -0.96 6.23 3.41 -1.26 -5.27 113.62 110.39 2dmm n SER 141 Ca -0.01 -1.25 0.12 0.00 -0.26 0.00 0.00 58.87 57.47 2dmm n SER 141 Cb 0.03 -1.60 0.10 0.00 -0.26 0.00 0.00 64.21 62.48 2dmm n SER 141 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49